element(s):
['W']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2041']
model name:
Sim_LAMMPS_MEAM_Lenosky_2017_W__SM_631352869360_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['W']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.2041, 0, 0], [0, 3.2041, 0], [0, 0, 3.2041]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:17:20      -17.689810         0.385732
BFGS:    1 17:17:20      -17.694076         0.129982
BFGS:    2 17:17:20      -17.694618         0.001309
BFGS:    3 17:17:20      -17.694618         0.000009
BFGS:    4 17:17:20      -17.694618         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.307114782424164e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['W', 'W']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.1908296426606344, 2.4070668655762532e-33, 9.380247114885013e-33], [1.2053833078820191e-32, 3.190829642660634, -3.2035672328993362e-21], [-1.341716010359403e-32, -3.2035672328942096e-21, 3.1908296426606344]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 4.30711478e-11  4.30711478e-11  4.30711478e-11 -8.27128502e-27
 -1.76550937e-34  2.69149857e-50]
energy per atom =  -8.847308792169603
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0